N-(2-methylphenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl-propyl-amino]ethanamide

Systemtic Name: N-(2-methylphenyl)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl-propyl-amino]ethanamide Openeye Name: N-(o-tolyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-propyl-amino]acetamide CAS Name: N-(2-methylphenyl)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-propylamino]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-propylamino]acetamide Traditional Name: N-(o-tolyl)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-propyl-amino]acetamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C19H23N3O3S/c1-3-11-21(13-17(23)20-16-9-5-4-8-15(16)2)18(24)14-26-19-10-6-7-12-22(19)25/h4-10,12H,3,11,13-14H2,1-2H3,(H,20,23)